4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid

C14H18N2O4 — CID 66240338

IUPAC4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC1COCC1C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-2-16(10-6-4-3-5-7-10)14(19)15-12-9-20-8-11(12)13(17)18/h3-7,11-12H,2,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyXYYLILCPGYOUJF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.32
Rot. Bonds4

About 4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66240338) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66240338
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC1COCC1C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-2-16(10-6-4-3-5-7-10)14(19)15-12-9-20-8-11(12)13(17)18/h3-7,11-12H,2,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyXYYLILCPGYOUJF-UHFFFAOYSA-N
XLogP1.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-methoxyphenyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240767
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222473
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
4-[[ethyl(3-hydroxypropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 113468852
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239350
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 104553066
4-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238952
4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
CID 66221172
3-(N-[4-(methylamino)oxolane-3-carbonyl]anilino)propanoic acid
CID 66267606
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240752
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 81056904

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66240338) is 4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)NC1COCC1C(=O)O)c1ccccc1.
What is the InChIKey of 4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is XYYLILCPGYOUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-16(10-6-4-3-5-7-10)14(19)15-12-9-20-8-11(12)13(17)18/h3-7,11-12H,2,8-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).